Detailed information for compound 436606

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 225.268 | Formula: C9H11N3O2S
  • H donors: 3 H acceptors: 1 LogP: 0.82 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(/C=N/NC(=S)N)ccc1O
  • InChi: 1S/C9H11N3O2S/c1-14-8-4-6(2-3-7(8)13)5-11-12-9(10)15/h2-5,13H,1H3,(H3,10,12,15)/b11-5+
  • InChiKey: FJQYXPHDGKUTQE-VZUCSPMQSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0103 0.0089
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0142 0.0128
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0103 0.0089
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0216 0.145 0.145
Echinococcus multilocularis neutral amino acid transporter A 0.1402 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0025 0.006
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.0163 0.0149
Loa Loa (eye worm) hypothetical protein 0.0075 0.0433 0.0433
Loa Loa (eye worm) hypothetical protein 0.0216 0.145 0.145
Loa Loa (eye worm) hypothetical protein 0.0029 0.0103 0.0103
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0261 0.0247
Brugia malayi Pre-SET motif family protein 0.0029 0.0103 0.0103
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0582 0.4088 0.4088
Plasmodium vivax SET domain protein, putative 0.0029 0.0103 0.1918
Mycobacterium tuberculosis Probable lipase LipD 0.0075 0.0433 0.0409
Loa Loa (eye worm) transcription factor SMAD2 0.025 0.1697 0.1697
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0242 0.0228
Schistosoma mansoni alpha glucosidase 0.004 0.0183 0.0169
Echinococcus granulosus snurportin 1 0.0301 0.2063 0.2052
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.1402 1 1
Entamoeba histolytica hypothetical protein 0.0035 0.0142 0.7742
Echinococcus multilocularis Excitatory amino acid transporter 0.1402 1 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0041 0.0027
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0095 0.0081
Echinococcus granulosus Excitatory amino acid transporter 0.1402 1 1
Mycobacterium tuberculosis Conserved protein 0.0075 0.0433 0.0409
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0025 0.006
Echinococcus multilocularis lysosomal alpha glucosidase 0.0182 0.1207 0.1195
Schistosoma mansoni carbonic anhydrase-related 0.0216 0.145 0.1437
Loa Loa (eye worm) hypothetical protein 0.0216 0.145 0.145
Trypanosoma brucei carbonic anhydrase-like protein 0.0582 0.4088 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0242 0.0242
Echinococcus granulosus beta LACTamase domain containing family member 0.0075 0.0433 0.0419
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0041 0.01
Echinococcus multilocularis neutral amino acid transporter A 0.1402 1 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0075 0.0433 0.0419
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0085 0.0503 0.048
Brugia malayi hypothetical protein 0.0035 0.0142 0.0142
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0094 0.0571 0.0548
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0183 0.1167
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0025 0.001
Toxoplasma gondii thioredoxin reductase 0.0037 0.0159 0.0946
Echinococcus granulosus geminin 0.0167 0.1093 0.108
Echinococcus multilocularis neutral alpha glucosidase AB 0.004 0.0183 0.0169
Brugia malayi Thioredoxin reductase 0.0037 0.0159 0.0159
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0261 0.0261
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.0163 0.0149
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.1402 1 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0085 0.0503 0.048
Schistosoma mansoni hypothetical protein 0.0167 0.1093 0.108
Mycobacterium tuberculosis Probable dehydrogenase 0.0085 0.0503 0.048
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0433 0.0419
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0094 0.0571 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0131 0.0839 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0025 0.1342
Brugia malayi MH1 domain containing protein 0.0017 0.0014 0.0014
Plasmodium falciparum thioredoxin reductase 0.0037 0.0159 0.0946
Plasmodium vivax glutathione reductase, putative 0.0037 0.0159 0.3304
Echinococcus multilocularis excitatory amino acid transporter 2 0.1402 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0131 0.0839 1
Echinococcus multilocularis Excitatory amino acid transporter 0.1402 1 1
Echinococcus granulosus carbonic anhydrase 0.0216 0.145 0.1437
Schistosoma mansoni hypothetical protein 0.0167 0.1093 0.108
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0621 0.4372 0.4364
Brugia malayi MH1 domain containing protein 0.0017 0.0014 0.0014
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0041 0.0041
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.007 0.0318
Chlamydia trachomatis glutamate symporter 0.1402 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0433 0.2756
Echinococcus granulosus importin subunit beta 1 0.0028 0.0095 0.0081
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0433 0.2756
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.0159 0.0135
Trichomonas vaginalis set domain proteins, putative 0.0233 0.1571 1
Brugia malayi glutathione reductase 0.0037 0.0159 0.0159
Loa Loa (eye worm) hypothetical protein 0.0075 0.0433 0.0433
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0131 0.0839 0.0816
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.007 0.0171
Echinococcus granulosus lysosomal alpha glucosidase 0.0182 0.1207 0.1195
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0075 0.0433 0.5013
Echinococcus granulosus neutral amino acid transporter A 0.1402 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.004 0.0183 0.0183
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0094 0.0571 0.0548
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0075 0.0433 0.0409
Leishmania major hypothetical protein, conserved 0.0025 0.007 0.0171
Onchocerca volvulus Excitatory amino acid transporter homolog 0.1402 1 1
Toxoplasma gondii hypothetical protein 0.0216 0.145 1
Schistosoma mansoni carbonic anhydrase-related 0.0216 0.145 0.1437
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0216 0.145 0.145
Echinococcus granulosus excitatory amino acid transporter 3 0.1402 1 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0182 0.1207 0.1207
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.1367 0.1367
Onchocerca volvulus 0.0106 0.0652 0.0652
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0261 0.0247
Mycobacterium tuberculosis Probable lipase LipE 0.0075 0.0433 0.0409
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0025 0.006
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0041 0.01
Echinococcus granulosus excitatory amino acid transporter 2 0.1402 1 1
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.0159 0.3304
Brugia malayi beta-lactamase 0.0075 0.0433 0.0433
Echinococcus multilocularis carbonic anhydrase II 0.0582 0.4088 0.408
Schistosoma mansoni ran 0.0021 0.0041 0.0027
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.007 0.0171
Schistosoma mansoni hypothetical protein 0.0035 0.0142 0.0128
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0103 0.0089
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.1402 1 1
Echinococcus multilocularis carbonic anhydrase 0.0216 0.145 0.1437
Echinococcus granulosus neutral amino acid transporter 0.1402 1 1
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0621 0.4372 0.4364
Echinococcus multilocularis snurportin 1 0.0301 0.2063 0.2052
Loa Loa (eye worm) beta-lactamase 0.0075 0.0433 0.0433
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0216 0.145 0.145
Plasmodium falciparum importin beta, putative 0.0028 0.0095 0.0492
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0582 0.4088 0.4088
Loa Loa (eye worm) Smad1 0.0017 0.0014 0.0014
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0103 0.0089
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.1402 1 1
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0621 0.4372 0.4364
Toxoplasma gondii aldehyde dehydrogenase 0.0131 0.0839 0.5715
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0159 0.0159
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0261 0.0247
Echinococcus multilocularis excitatory amino acid transporter 3 0.1402 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.025 0.1697 0.1697
Loa Loa (eye worm) hypothetical protein 0.0313 0.2152 0.2152
Loa Loa (eye worm) excitatory amino acid transporter 0.1402 1 1
Schistosoma mansoni alpha-glucosidase 0.0157 0.1024 0.1011
Leishmania major GTP-binding protein, putative 0.0021 0.0041 0.01
Leishmania major hypothetical protein, conserved 0.0075 0.0433 0.1059
Schistosoma mansoni ap endonuclease 0.0018 0.0025 0.001
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0103 0.055
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0183 0.1167
Plasmodium falciparum carbonic anhydrase 0.0216 0.145 1
Brugia malayi Pre-SET motif family protein 0.0205 0.1367 0.1367
Plasmodium vivax importin-beta 2, putative 0.0028 0.0095 0.1716
Treponema pallidum glutamate/aspartate transporter 0.0621 0.4372 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.048 0.3352 0.3335
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0025 0.0025
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0183 0.0448
Mycobacterium tuberculosis Probable reductase 0.0085 0.0503 0.048
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0041 0.01
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.007 0.1111
Treponema pallidum glutamate transporter 0.0621 0.4372 1
Loa Loa (eye worm) glutathione reductase 0.0037 0.0159 0.0159
Echinococcus granulosus tumor protein p63 0.0332 0.2287 0.2276
Brugia malayi beta-lactamase family protein 0.0075 0.0433 0.0433
Onchocerca volvulus 0.0233 0.1571 0.1571
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.004 0.0183 0.1167
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0085 0.0503 0.048
Brugia malayi Muscleblind-like protein 0.0313 0.2152 0.2152
Echinococcus granulosus carbonic anhydrase 0.0216 0.145 0.1437
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.0183 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0103 0.0089
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0056 0.0358
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0183 0.0448
Onchocerca volvulus 0.0075 0.0433 0.0433
Echinococcus granulosus Excitatory amino acid transporter 0.1402 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0025 0.0157
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0075 0.0433 0.0409
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0487 0.3404 0.3404
Mycobacterium tuberculosis Probable hydrolase 0.0075 0.0433 0.0409
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0433 0.2756
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0261 0.0247
Plasmodium falciparum glutathione reductase 0.0037 0.0159 0.0946
Loa Loa (eye worm) hypothetical protein 0.0075 0.0433 0.0433
Loa Loa (eye worm) hypothetical protein 0.0028 0.0095 0.0095
Brugia malayi MH2 domain containing protein 0.025 0.1697 0.1697
Entamoeba histolytica hypothetical protein 0.0035 0.0142 0.7742
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0301 0.2063 0.2063
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0085 0.0503 0.048
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.004 0.0183 0.1113
Echinococcus multilocularis carbonic anhydrase 0.0216 0.145 0.1437
Brugia malayi RNA, U transporter 1 0.008 0.047 0.047
Trichomonas vaginalis esterase, putative 0.0075 0.0433 0.2756
Echinococcus multilocularis sodium:dicarboxylate symporter 0.1402 1 1
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0621 0.4372 0.4364
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0025 0.001
Loa Loa (eye worm) hypothetical protein 0.0075 0.0433 0.0433
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.007 0.0318
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0041 0.0115
Trypanosoma brucei hypothetical protein, conserved 0.0075 0.0433 0.1059
Schistosoma mansoni aldehyde dehydrogenase 0.0131 0.0839 0.0826
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.004 0.0183 0.1167
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0183 0.1167
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0159 0.039
Echinococcus granulosus carbonic anhydrase 0.0216 0.145 0.1437
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0582 0.4088 0.408
Echinococcus granulosus neutral alpha glucosidase AB 0.004 0.0183 0.0169
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0095 0.0232
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0041 0.0115
Schistosoma mansoni ran 0.0021 0.0041 0.0027
Onchocerca volvulus 0.0075 0.0433 0.0433
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0261 0.0247
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0433 0.1059
Schistosoma mansoni aldehyde dehydrogenase 0.0131 0.0839 0.0826
Leishmania major alpha glucosidase II subunit, putative 0.004 0.0183 0.0448
Mycobacterium tuberculosis Probable esterase LipL 0.0075 0.0433 0.0409
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0183 0.1167
Echinococcus granulosus muscleblind protein 0.0313 0.2152 0.214
Schistosoma mansoni hypothetical protein 0.0301 0.2063 0.2052
Onchocerca volvulus 0.0029 0.0103 0.0103
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0014 0.0014
Loa Loa (eye worm) carbonic anhydrase 3 0.0582 0.4088 0.4088
Echinococcus multilocularis carbonic anhydrase 0.0216 0.145 0.1437
Toxoplasma gondii ABC1 family protein 0.0075 0.0433 0.2865
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0433 0.2756
Loa Loa (eye worm) hypothetical protein 0.0075 0.0433 0.0433
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0095 0.0492
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0014 0.0014
Schistosoma mansoni importin beta-1 0.0028 0.0095 0.0081
Echinococcus multilocularis geminin 0.0167 0.1093 0.108
Brugia malayi hypothetical protein 0.0025 0.007 0.007
Brugia malayi Smad1 0.0017 0.0014 0.0014
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0041 0.0401
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0261 0.0261
Brugia malayi Glycosyl hydrolases family 31 protein 0.004 0.0183 0.0183
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0216 0.145 0.145
Brugia malayi MH2 domain containing protein 0.0017 0.0014 0.0014
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0182 0.1207 0.1207
Schistosoma mansoni alpha-glucosidase 0.0157 0.1024 0.1011
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0075 0.0433 0.0409
Mycobacterium ulcerans beta-lactamase 0.0075 0.0433 0.5013
Echinococcus multilocularis lysosomal alpha glucosidase 0.0182 0.1207 0.1195
Echinococcus multilocularis muscleblind protein 0.0313 0.2152 0.214
Loa Loa (eye worm) hypothetical protein 0.0313 0.2152 0.2152
Brugia malayi MH2 domain containing protein 0.0017 0.0014 0.0014
Trichomonas vaginalis ran, putative 0.0021 0.0041 0.0261
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0433 0.2756
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0041 0.0041
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0056 0.0358
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0582 0.4088 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.007 0.0171
Echinococcus multilocularis neutral amino acid transporter A 0.1402 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0103 0.0089
Entamoeba histolytica hypothetical protein 0.0035 0.0142 0.7742
Schistosoma mansoni hypothetical protein 0.0216 0.145 0.1437
Echinococcus granulosus carbonic anhydrase II 0.0582 0.4088 0.408
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0142 0.0128
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0216 0.145 0.145
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0075 0.0433 0.0433
Mycobacterium ulcerans lipase LipD 0.0075 0.0433 0.5013
Echinococcus multilocularis excitatory amino acid transporter 2 0.1402 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0131 0.0839 0.2052
Echinococcus multilocularis muscleblind protein 1 0.0313 0.2152 0.214
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0103 0.0089
Entamoeba histolytica hypothetical protein 0.0023 0.0056 0.3066
Echinococcus granulosus excitatory amino acid transporter 2 0.1402 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0582 0.4088 0.408
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0582 0.4088 0.4088
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0183 0.1167
Mycobacterium ulcerans hypothetical protein 0.0075 0.0433 0.5013
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0142 0.0128
Loa Loa (eye worm) hypothetical protein 0.0216 0.145 0.145
Onchocerca volvulus 0.0049 0.0242 0.0242
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0131 0.0839 0.0826
Brugia malayi hypothetical protein 0.0016 0.0007 0.0007
Brugia malayi beta-lactamase family protein 0.0075 0.0433 0.0433
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0433 0.0419
Trypanosoma brucei glucosidase, putative 0.004 0.0183 0.0448
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0261 0.0247
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0075 0.0433 0.0433
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0025 0.0157
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.0183 1
Trypanosoma brucei trypanothione reductase 0.0037 0.0159 0.039
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0261 0.0247
Loa Loa (eye worm) hypothetical protein 0.0075 0.0433 0.0433
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0056 0.0358
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0056 0.0137
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0582 0.4088 1
Brugia malayi follicle stimulating hormone receptor 0.0487 0.3404 0.3404
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.007 0.0318
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0131 0.0839 0.0826
Brugia malayi Importin beta-1 subunit 0.0028 0.0095 0.0095
Schistosoma mansoni ap endonuclease 0.0018 0.0025 0.001
Entamoeba histolytica hypothetical protein 0.0035 0.0142 0.7742
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0433 0.1059
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0095 0.0081
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0041 1
Entamoeba histolytica Ran family GTPase 0.0021 0.0041 0.2235
Echinococcus granulosus sodium:dicarboxylate symporter 0.1402 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0094 0.0571 0.0548
Trichomonas vaginalis sucrase-isomaltase, putative 0.004 0.0183 0.1167
Mycobacterium tuberculosis Conserved protein 0.0075 0.0433 0.0409
Plasmodium vivax hypothetical protein, conserved 0.0075 0.0433 1
Mycobacterium tuberculosis Conserved protein 0.0075 0.0433 0.0409
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0085 0.0503 0.5071
Mycobacterium ulcerans esterase/lipase LipP 0.0075 0.0433 0.5013
Schistosoma mansoni carbonic anhydrase 0.0216 0.145 0.1437
Leishmania major importin beta-1 subunit, putative 0.0023 0.0056 0.0137
Leishmania major carbonic anhydrase-like protein 0.0582 0.4088 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.007 0.007
Trichomonas vaginalis maltase-glucoamylase, putative 0.004 0.0183 0.1167
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0025 0.0025
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0216 0.145 0.145
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0041 0.0027
Schistosoma mansoni carbonic anhydrase-related 0.0216 0.145 0.1437
Echinococcus granulosus neutral amino acid transporter A 0.1402 1 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0095 0.0232
Onchocerca volvulus 0.0075 0.0433 0.0433
Mycobacterium ulcerans aldehyde dehydrogenase 0.0131 0.0839 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0025 0.006
Leishmania major trypanothione reductase 0.0037 0.0159 0.039
Echinococcus multilocularis tumor protein p63 0.0332 0.2287 0.2276

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) = 95 % Antiproliferative activity against PHA-stimulated human PBMC at 20 ug/mL after 72 hrs by MTT assay relative to control ChEMBL. 18222568
IC50 (binding) = 3.3 10^-3mmol/L Inhibition of pieris rapae Phenoloxidase ChEMBL. 17258462
Inhibition (functional) = 23 % Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 in human erythrocytes at 20 ug/mL by [3H]hypoxanthine uptake ChEMBL. 18222568
Log IC50 (binding) = 5.48 Inhibition of pieris rapae Phenoloxidase ChEMBL. 17258462

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.